lingyuzeng/gromacs_docker
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2024-10-11 10:23:09 +08:00
parent 174b38372b
commit a10624305d
5 changed files with 563 additions and 563 deletions
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2
Dockerfile.gromacs
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@@ -1,4 +1,4 @@
# syntax=docker/dockerfile:1
# syntax=docker/dockerfile:1.3-labs
# NOTE: Building this image require's docker version >= 23.0.
#
# For reference:

2
docker-compose_plumed_autofep.yml
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@@ -8,7 +8,7 @@ services:
args:
CACHEBUST: 1
TAG_VERSION: "12.4.1"
PLUMED_VERSION: "2.9.1"
PLUMED_VERSION: "2.9.2"
FFTW_VERSION: "3.3.10"
BUILDKIT_INLINE_CACHE: 1
# env_file: